1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione

C18H19N7O2 — CID 146651036

IUPAC1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
SMILESCc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC1(CCC1)N2C
InChIInChI=1S/C18H19N7O2/c1-10-8-12(22-15-11-4-7-19-14(11)20-9-21-15)17(27)25-13(10)16(26)23-18(24(25)2)5-3-6-18/h4,7-9H,3,5-6H2,1-2H3,(H,23,26)(H2,19,20,21,22)
InChIKeyUNCZQZUGXFEJQR-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.36
Rot. Bonds2

About 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione

1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione (PubChem CID 146651036) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione.

Molecular Properties

Compound Name1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
PubChem CID146651036
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
SMILESCc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC1(CCC1)N2C
InChIInChI=1S/C18H19N7O2/c1-10-8-12(22-15-11-4-7-19-14(11)20-9-21-15)17(27)25-13(10)16(26)23-18(24(25)2)5-3-6-18/h4,7-9H,3,5-6H2,1-2H3,(H,23,26)(H2,19,20,21,22)
InChIKeyUNCZQZUGXFEJQR-UHFFFAOYSA-N
XLogP1.36
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione with MolForge

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Related Compounds

1,5-dimethyl-7-[(2-oxo-3H-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclohexane]-4,8-dione
CID 146651074
N-[3-[5-methyl-4,8-dioxo-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-1-yl]phenyl]prop-2-enamide
CID 146650647
8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one
CID 146651082
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 135259180
9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione
CID 135258980
8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 135259019
8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 142402558
ethyl 4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 142402596
(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 122634969
2-[6-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]purin-9-yl]acetic acid
CID 135259067
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 139479919

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione?
The IUPAC name of 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione (CID 146651036) is 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione.
What is the SMILES notation for 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione?
The canonical SMILES for 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione is Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC1(CCC1)N2C.
What is the InChIKey of 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione?
The InChIKey is UNCZQZUGXFEJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-10-8-12(22-15-11-4-7-19-14(11)20-9-21-15)17(27)25-13(10)16(26)23-18(24(25)2)5-3-6-18/h4,7-9H,3,5-6H2,1-2H3,(H,23,26)(H2,19,20,21,22).
What are the key properties of 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione?
1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione has a molecular weight of 365.40 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione is sourced from PubChem (CID 146651036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).